Structure of PDB 1scd Chain A Binding Site BS02

Receptor Information

>1scd Chain A (length=274) Species: 1402 (Bacillus licheniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AQTVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGGASF
VAGEAYNTDGNGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGS
GSYSGIVSGIEWATTNGMDVINMSLGGASGSTAMKQAVDNAYARGVVVVA
AAGNSGNSGSTNTIGYPAKYDSVIAVGAVDSNSNRASFSSVGAELEVMAP
GAGVYSTYPTNTYATLNGTSMASPHVAGAAALILSKHPNLSASQVRNRLS
STATYLGSSFYYGKGLINVEAAAQ

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

1scd Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1scd X-ray crystal structure of cross-linked subtilisin Carlsberg in water vs. acetonitrile.
Resolution	2.3 Å
Binding residue (original residue number in PDB)	A169 K170 Y171 V174
Binding residue (residue number reindexed from 1)	A168 K169 Y170 V173
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	D32 H64 N155 S221
Catalytic site (residue number reindexed from 1)	D32 H63 N154 S220
Enzyme Commision number	3.4.21.62: subtilisin.

Gene Ontology

	Molecular Function
GO:0004252	serine-type endopeptidase activity
GO:0008236	serine-type peptidase activity

	Biological Process
GO:0006508	proteolysis

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Molecular Function

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Biological Process

External links

PDB	RCSB:1scd, PDBe:1scd, PDBj:1scd
PDBsum	1scd
PubMed	8297378
UniProt	P00780\|SUBC_BACLI Subtilisin Carlsberg (Gene Name=subC)

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